N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-2-fluorobenzamide

C17H17ClFN3O2 — CID 47985502

IUPACN-[3-[(4-chlorophenyl)carbamoylamino]propyl]-2-fluorobenzamide
SMILESO=C(NCCCNC(=O)c1ccccc1F)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClFN3O2/c18-12-6-8-13(9-7-12)22-17(24)21-11-3-10-20-16(23)14-4-1-2-5-15(14)19/h1-2,4-9H,3,10-11H2,(H,20,23)(H2,21,22,24)
InChIKeySDAKTLXHZXDYBA-UHFFFAOYSA-N
MW349.79 g/mol
LogP3.42
Rot. Bonds6

About N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-2-fluorobenzamide

N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-2-fluorobenzamide (PubChem CID 47985502) has the molecular formula C17H17ClFN3O2 and a molecular weight of 349.79 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)carbamoylamino]propyl]-2-fluorobenzamide
PubChem CID47985502
Molecular FormulaC17H17ClFN3O2
Molecular Weight349.79 g/mol
Exact Mass349.10
IUPAC NameN-[3-[(4-chlorophenyl)carbamoylamino]propyl]-2-fluorobenzamide
SMILESO=C(NCCCNC(=O)c1ccccc1F)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClFN3O2/c18-12-6-8-13(9-7-12)22-17(24)21-11-3-10-20-16(23)14-4-1-2-5-15(14)19/h1-2,4-9H,3,10-11H2,(H,20,23)(H2,21,22,24)
InChIKeySDAKTLXHZXDYBA-UHFFFAOYSA-N
XLogP3.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[3-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propyl]benzamide
CID 47987463
N-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide
CID 17459278
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
1-(4-chlorophenyl)-3-undecylurea
CID 3711116
N-[5-[4-[(3-chloro-4-fluorophenyl)carbamoylamino]phenyl]pentyl]-2-hydroxybenzamide
CID 69344827
N-[[4-[(4-chlorophenyl)methylsulfanyl]phenyl]carbamoyl]-2-fluorobenzamide
CID 20524501
N-[2-[(2R,5S,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-fluorobenzamide
CID 54642077
N-[2-[(2R,5R,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-fluorobenzamide
CID 54642319
2-fluoro-N-[3-(4-nitroanilino)propyl]benzamide
CID 5347228
N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide
CID 47337929
N-[3-[(2,4-dimethoxyphenyl)carbamoylamino]propyl]-2-fluorobenzamide
CID 47987974

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-2-fluorobenzamide?
The IUPAC name of N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-2-fluorobenzamide (CID 47985502) is N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-2-fluorobenzamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-2-fluorobenzamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-2-fluorobenzamide is O=C(NCCCNC(=O)c1ccccc1F)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-2-fluorobenzamide?
The InChIKey is SDAKTLXHZXDYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O2/c18-12-6-8-13(9-7-12)22-17(24)21-11-3-10-20-16(23)14-4-1-2-5-15(14)19/h1-2,4-9H,3,10-11H2,(H,20,23)(H2,21,22,24).
What are the key properties of N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-2-fluorobenzamide?
N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-2-fluorobenzamide has a molecular weight of 349.79 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-2-fluorobenzamide is sourced from PubChem (CID 47985502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).